4-aminobut-2-ynoic acid
Molecule Viewer
Molecular Orbitals
- 1 -552.40 eV View
- 2 -551.35 eV View
- 3 -417.12 eV View
- 4 -304.75 eV View
- 5 -302.66 eV View
- 6 -300.25 eV View
- 7 -299.78 eV View
- 8 -37.91 eV View
- 9 -34.71 eV View
- 10 -31.29 eV View
- 11 -27.35 eV View
- 12 -24.70 eV View
- 13 -22.14 eV View
- 14 -18.23 eV View
- 15 -17.52 eV View
- 16 -16.39 eV View
- 17 -16.07 eV View
- 18 -15.13 eV View
- 19 -15.03 eV View
- 20 -14.48 eV View
- 21 -12.87 eV View
- 22 -10.26 eV View
- 23 -9.81 eV View
- 24 -9.50 eV View
- 25 -9.41 eV View
- 26 -8.74 eV View
- 27 6.58 eV View
- 28 9.27 eV View
- 29 12.56 eV View
- 30 14.96 eV View
- 31 16.89 eV View
- 32 17.30 eV View
- 33 17.80 eV View
- 34 18.37 eV View
- 35 19.82 eV View
- 36 20.02 eV View
- 37 20.90 eV View
- 38 21.65 eV View
- 39 26.81 eV View
- 40 40.69 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 31.59 cm-1 View
- 2 97.11 cm-1 View
- 3 153.83 cm-1 View
- 4 202.58 cm-1 View
- 5 245.48 cm-1 View
- 6 385.09 cm-1 View
- 7 438.10 cm-1 View
- 8 513.53 cm-1 View
- 9 532.14 cm-1 View
- 10 674.81 cm-1 View
- 11 737.63 cm-1 View
- 12 754.96 cm-1 View
- 13 879.23 cm-1 View
- 14 1005.71 cm-1 View
- 15 1050.43 cm-1 View
- 16 1119.85 cm-1 View
- 17 1151.69 cm-1 View
- 18 1155.01 cm-1 View
- 19 1245.69 cm-1 View
- 20 1339.71 cm-1 View
- 21 1367.35 cm-1 View
- 22 1509.58 cm-1 View
- 23 1661.64 cm-1 View
- 24 1977.77 cm-1 View
- 25 2460.41 cm-1 View
- 26 2894.31 cm-1 View
- 27 2965.74 cm-1 View
- 28 3398.33 cm-1 View
- 29 3529.06 cm-1 View
- 30 3854.99 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -14.45 | kJ mol-1 |
| Polar Solvation Energy | -29.37 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.92 | kJ mol-1 |
| Surface Area | 111.10 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.64 | Debye |